ChemSpider 2D Image | 2-(2-methyl-5-nitropyrazol-3-yl)acetonitrile | C6H6N4O2

2-(2-methyl-5-nitropyrazol-3-yl)acetonitrile

  • Molecular FormulaC6H6N4O2
  • Average mass166.137 Da
  • Monoisotopic mass166.049072 Da
  • ChemSpider ID28346654

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1-Methyl-3-nitro-1H-pyrazol-5-yl)acetonitril [German] [ACD/IUPAC Name]
(1-Methyl-3-nitro-1H-pyrazol-5-yl)acetonitrile [ACD/IUPAC Name]
(1-Méthyl-3-nitro-1H-pyrazol-5-yl)acétonitrile [French] [ACD/IUPAC Name]
1260659-25-3 [RN]
1H-Pyrazole-5-acetonitrile, 1-methyl-3-nitro- [ACD/Index Name]
2-(1-Methyl-3-nitro-1H-pyrazol-5-yl)acetonitrile
2-(2-methyl-5-nitropyrazol-3-yl)acetonitrile
2-(1-methyl-3-nitropyrazol-5-yl)ethanenitrile
AGN-PC-08VYJK
AKOS005169543
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 384.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 186.1±23.7 °C
    Index of Refraction: 1.635
    Molar Refractivity: 42.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.70
    ACD/LogD (pH 5.5): -0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.02
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.02
    Polar Surface Area: 87 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 62.6±7.0 dyne/cm
    Molar Volume: 117.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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